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Heterocyclic building blocks

3-Nitrorifamycin S

Also known as Rifamycin, 1,4-dideoxy-1,4-dihydro-3-nitro-1,4-dioxo-

Formula C37H44N2O14Molar mass 740.76 g/mol
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3-Nitrorifamycin S chemical structure, C37H44N2O14
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C37H44N2O14
Molar mass
740.76 g/mol
HS code
294190
Category
Heterocyclic building blocks

What is 3-Nitrorifamycin S?

Plain description, key identifiers and synonyms

3-Nitrorifamycin S is a chemical substance with the molecular formula C37H44N2O14 and a molar mass of 740.76 g/mol. The IUPAC name is [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-nitro-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-nitro-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Molecular formula
C37H44N2O14
UNII
4G7X68L7ZT
InChIKey
AZZVKNIEDVNCBK-GVDHMVJUSA-N
InChI
InChI=1S/C37H44N2O14/c1-15-11-10-12-16(2)36(47)38-26-27(39(48)49)32(45)23-24(31(26)44)30(43)20(6)34-25(23)35(46)37(8,53-34)51-14-13-22(50-9)17(3)33(52-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,1-9H3,(H,38,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1
Canonical SMILES
COC1C=COC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C([N+](=O)[O-])=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C4=O
Isomeric SMILES
C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)[N+](=O)[O-])/C

Synonyms

  • Rifamycin, 1,4-dideoxy-1,4-dihydro-3-nitro-1,4-dioxo-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
740.76 g/molcalc.
Exact mass
740.2793 Dacalc.
LogP (octanol/water)
3.23calc.
Topological polar surface area
238.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
3calc.
Heavy atoms
53calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.49calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC=CCCCCCCCCC=COC2Oc3ccc4c(c3C2=O)C(=O)C=C(N1)C4=O

O=C1C=CC=CCCCCCCCCC=COC2Oc3ccc4c(c3C2=O)C(=O)C=C(N1)C4=O

5 rings, 34 atoms.

20 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

3-Nitrorifamycin S suppliers

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3-Nitrorifamycin S price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 3-Nitrorifamycin S is traded under.

HS 2941.90Indicative HS code

Antibiotics, other

World exports in 2024
$6.39B
+2.3% vs 2023, imports $6.97B
2019 to 2024
Top exporters
  1. China39.7%
  2. United States11.3%
  3. Switzerland * partner reported10.9%
Top importers
  1. Italy15.0%
  2. India * partner reported12.0%
  3. China8.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 3-Nitrorifamycin S is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Nitrorifamycin S, based on the data on this page

What is 3-Nitrorifamycin S?

3-Nitrorifamycin S is a chemical substance with the molecular formula C37H44N2O14 and a molar mass of 740.76 g/mol.

What is the molecular formula and weight of 3-Nitrorifamycin S?

The molecular formula of 3-Nitrorifamycin S is C37H44N2O14 and its molar mass is 740.76 g/mol.

What is 3-Nitrorifamycin S used for?

Known uses and roles of 3-Nitrorifamycin S include building blocks in research and laboratory.

Is 3-Nitrorifamycin S hazardous?

No GHS hazard classification for 3-Nitrorifamycin S is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 3-Nitrorifamycin S?

3-Nitrorifamycin S is usually classified under HS code 294190 (Antibiotics, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Nitrorifamycin S?

Post a free request on CompoundList and suppliers of 3-Nitrorifamycin S will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Nitrorifamycin S?

Suppliers quote 3-Nitrorifamycin S on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 3-Nitrorifamycin S

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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